7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)-
TL;DR: 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)- (CAS 109282-41-9) is a chemical compound with molecular formula C12H18O5 and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (1R,2R,3S,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
Also Known As: Delavaine A, 5-18-07-00033 (Beilstein Handbook Reference), (exo,exo)-Diethyl 7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylate, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)-, diethyl (1R,2R,3S,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
| Molecular Formula | C12H18O5 |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.11542 |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 109282-41-9 |
|---|---|
| SMILES | CCOC(=O)[C@H]1[C@H]2CC[C@@H]([C@H]1C(=O)OCC)O2 |
| InChIKey | XMTANUFQUTUZGE-FIRGSJFUSA-N |
Product Overview
7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)- (CAS 109282-41-9), with molecular formula C12H18O5 and molecular weight 242.12 g/mol. IUPAC: diethyl (1R,2R,3S,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate.
Chemical Property Profile of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)-
Property Insights of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)-. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)-. Following Lipinski's Rule of Five, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)-?
The CAS number of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)- is 109282-41-9.
What is the molecular formula of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)-?
The molecular formula of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)- is C12H18O5.
What is the molecular weight of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)-?
The molecular weight of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)- is 242.12 g/mol.
Where can I buy 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)-?
You can request a quote for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)-?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.